COTYLENIN B

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C33H51ClO11
Molecular Weight	659.204
Optical Activity	UNSPECIFIED
Defined Stereocenters	14 / 14
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@H](C)[C@@H]3CC[C@](O)(COC)C3=C[C@@]4(C)CCC(C(C)C)=C24)[C@H](O)[C@H]5O[C@H]6O[C@@]15O[C@@]6(C)[C@@H](O)CCl

InChI

InChIKey=OQIDAXFFANCGIE-XWJJHAMOSA-N

InChI=1S/C33H51ClO11/c1-16(2)18-8-10-30(4)12-20-19(9-11-32(20,38)15-40-7)17(3)24(36)26(23(18)30)42-28-25(37)27-33(22(41-28)14-39-6)44-29(43-27)31(5,45-33)21(35)13-34/h12,16-17,19,21-22,24-29,35-38H,8-11,13-15H2,1-7H3/b20-12+/t17-,19+,21+,22-,24-,25-,26-,27-,28-,29+,30-,31+,32+,33-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C33H51ClO11
Molecular Weight	659.204
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	14 / 14
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 18:31:35 GMT 2025` Edited by `admin` on `Tue Apr 01 18:31:35 GMT 2025`
Record UNII	79E2H0Q9R3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

COTYLENIN B

Common Name

English

DICYCLOPENTA(A,D)CYCLOOCTENE-1,5-DIOL, 6-(((2S,3S,4AS,5R,7S,8R,8AR)-3-((1R)-2-CHLORO-1-HYDROXYETHYL)TETRAHYDRO-8-HYDROXY-5-(METHOXYMETHYL)-3-METHYL-7H-2,4A-EPOXY-5H-PYRANO(3,4-B)-1,4-DIOXIN-7-YL)OXY)-1,2,3,3A,4,5,6,8,9,9A-DECAHYDRO-1-(METHOXYMETHYL)-4,9A

Preferred Name

English

Code System Code Type Description

FDA UNII

79E2H0Q9R3

Created by admin on Tue Apr 01 18:31:35 GMT 2025 , Edited by admin on Tue Apr 01 18:31:35 GMT 2025

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PUBCHEM

102403689

Created by admin on Tue Apr 01 18:31:35 GMT 2025 , Edited by admin on Tue Apr 01 18:31:35 GMT 2025

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CAS

12708-38-2

Created by admin on Tue Apr 01 18:31:35 GMT 2025 , Edited by admin on Tue Apr 01 18:31:35 GMT 2025

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